SCHEMBL27729558

SCHEMBL27729558

O=CC(=O)c1c2ccccc2cn1Cc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HRH2 P25021 1/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28818119 0.76 KDM4E (0.34) MEN1KMT2ALMNAMAPTCNR1
SCHEMBL27770330 0.75 CHRM1 (0.43) LMNATSHRCNR2
SCHEMBL27926249 0.74 PTPN1 (0.34) CNR2ALDH1A1
SCHEMBL27952647 0.73 P2RX3 (0.34) MAPTALOX15SMN1; SMN2ALDH1A1POLB
SCHEMBL28035914 0.73 KMT2A (0.33) MEN1KMT2ALMNAHSD17B10USP2
SCHEMBL27997552 0.72 CREBBP (0.38) LMNATSHRCNR1CNR2HPGD
SCHEMBL27951823 0.72 CNR2 (0.41) CNR1CNR2
SCHEMBL28341398 0.72 CCNE2 (0.38) MEN1KMT2ALMNATSHRMAPT
SCHEMBL27670405 0.72 CNR2 (0.34) CNR1CNR2
SCHEMBL28760252 0.72 LMNA (0.31) MEN1KMT2ALMNAUSP2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101326177-A Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2008-12-17 CN disclosed